CID 43725880

Methyl 2-{[(4-chlorophenyl)methyl]amino}-2-methylpropanoate

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CC(C)(C(=O)OC)NCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClNO2/c1-12(2,11(15)16-3)14-8-9-4-6-10(13)7-5-9/h4-7,14H,8H2,1-3H3
InChIKey
VVNMUGRBNPENJS-UHFFFAOYSA-N
Compound name
methyl 2-[(4-chlorophenyl)methylamino]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08696 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 153.6
[M+Na]+ 264.07618 165.4
[M+NH4]+ 259.12078 161.4
[M+K]+ 280.05012 159.3
[M-H]- 240.07968 155.1
[M+Na-2H]- 262.06163 159.7
[M]+ 241.08641 156.0
[M]- 241.08751 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.